(3S,4S)-3-methoxy-4-methylazetidin-2-one

C5H9NO2 — CID 55302503

IUPAC(3S,4S)-3-methoxy-4-methylazetidin-2-one
SMILESCO[C@@H]1C(=O)N[C@H]1C
InChIInChI=1S/C5H9NO2/c1-3-4(8-2)5(7)6-3/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1
InChIKeyBRURZJPRMCUKIX-IMJSIDKUSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About (3S,4S)-3-methoxy-4-methylazetidin-2-one

(3S,4S)-3-methoxy-4-methylazetidin-2-one (PubChem CID 55302503) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-4-methylazetidin-2-one
PubChem CID55302503
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3S,4S)-3-methoxy-4-methylazetidin-2-one
SMILESCO[C@@H]1C(=O)N[C@H]1C
InChIInChI=1S/C5H9NO2/c1-3-4(8-2)5(7)6-3/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1
InChIKeyBRURZJPRMCUKIX-IMJSIDKUSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethoxy)-4-methylazetidin-2-one
CID 131993362
3,4-dimethoxycyclobutane-1,2-dione
CID 52953770
4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile
CID 175594848
(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
CID 130754471
3-amino-4-methylazetidin-2-one
CID 13155286
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
CID 11194347
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
5-methoxy-1,3-diazinane-2,4,6-trione
CID 15001716
(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
CID 130993525

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-4-methylazetidin-2-one?
The IUPAC name of (3S,4S)-3-methoxy-4-methylazetidin-2-one (CID 55302503) is (3S,4S)-3-methoxy-4-methylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-methoxy-4-methylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-methoxy-4-methylazetidin-2-one is CO[C@@H]1C(=O)N[C@H]1C.
What is the InChIKey of (3S,4S)-3-methoxy-4-methylazetidin-2-one?
The InChIKey is BRURZJPRMCUKIX-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(8-2)5(7)6-3/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-4-methylazetidin-2-one?
(3S,4S)-3-methoxy-4-methylazetidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-4-methylazetidin-2-one is sourced from PubChem (CID 55302503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).